Alizarin Rubinol R

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H17N2O5S.Na
Molecular Weight	468.457
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CN1C(=O)C=C2C3=C(C=CC=C3)C(=O)C4=C(NC5=C(C=C(C)C=C5)S([O-])(=O)=O)C=CC1=C24

InChI

InChIKey=RNTNZRPCYDDMIA-UHFFFAOYSA-M

InChI=1S/C24H18N2O5S.Na/c1-13-7-8-17(20(11-13)32(29,30)31)25-18-9-10-19-22-16(12-21(27)26(19)2)14-5-3-4-6-15(14)24(28)23(18)22;/h3-12,25H,1-2H3,(H,29,30,31);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C24H17N2O5S
Molecular Weight	445.467
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:05:33 GMT 2025` Edited by `admin` on `Tue Apr 01 20:05:33 GMT 2025`
Record UNII	PL253FFC2S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-47730

Preferred Name

English

Alizarin Rubinol R

Common Name

English

Benzenesulfonic acid, 2-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-5-methyl-, sodium salt

Systematic Name

English

C.I. 68215

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50884074